N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide

C25H33N3O3 — CID 17009937

IUPACN-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCCCCCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C25H33N3O3/c1-5-6-7-8-11-16-28-21-13-10-9-12-20(21)27-24(28)18(2)26-25(29)19-14-15-22(30-3)23(17-19)31-4/h9-10,12-15,17-18H,5-8,11,16H2,1-4H3,(H,26,29)
InChIKeyVCCZOYSSYJLRJG-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.51
Rot. Bonds11

About N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide

N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 17009937) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID17009937
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCCCCCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C25H33N3O3/c1-5-6-7-8-11-16-28-21-13-10-9-12-20(21)27-24(28)18(2)26-25(29)19-14-15-22(30-3)23(17-19)31-4/h9-10,12-15,17-18H,5-8,11,16H2,1-4H3,(H,26,29)
InChIKeyVCCZOYSSYJLRJG-UHFFFAOYSA-N
XLogP5.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941
3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010037
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009789
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009790
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16967951
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 17009932
3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009968
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (CID 17009937) is N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is CCCCCCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is VCCZOYSSYJLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-5-6-7-8-11-16-28-21-13-10-9-12-20(21)27-24(28)18(2)26-25(29)19-14-15-22(30-3)23(17-19)31-4/h9-10,12-15,17-18H,5-8,11,16H2,1-4H3,(H,26,29).
What are the key properties of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 423.56 g/mol, XLogP of 5.51, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 17009937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).